General Information of the Compound
| Compound ID |
CP0447454
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| Compound Name |
US8618114, 1.2.12(2)
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| Structure |
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| Formula |
C16H19N5O2S
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| Molecular Weight |
345.428
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| Canonical SMILES |
CNc1nn2c(cc(C)nc2c1S(=O)(=O)c1ccccc1)N(C)C
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| InChI |
InChI=1S/C16H19N5O2S/c1-11-10-13(20(3)4)21-16(18-11)14(15(17-2)19-21)24(22,23)12-8-6-5-7-9-12/h5-10H,1-4H3,(H,17,19)
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| InChIKey |
VTYIBGLMBMJTCK-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound